SCHEMBL6319745

SCHEMBL6319745

CCC(CC)C(=O)Nc1onc(-c2ccc3ccccc3n2)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.40
MAPT P10636 5/20 0.38
TSHR P16473 2/20 0.38
ADORA2A P29274 3/20 0.38
KCNJ11 Q14654 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.35
TACR3 P29371 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6316802 0.84 MAP4K4 (0.42) ADORA1MAPTADORA2AMEN1KMT2A
SCHEMBL6322895 0.83 SMN1; SMN2 (0.42) ADORA1ADORA2AGAATACR3SMN1; SMN2
SCHEMBL6322010 0.82 ADORA1 (0.41) ADORA1MAPTTSHRMEN1KMT2A
SCHEMBL6318046 0.81 ADORA1 (0.42) ADORA1TSHRADORA2AMEN1KMT2A
SCHEMBL6318523 0.81 ADORA1 (0.38) ADORA1MAPTADORA2AMEN1KMT2A
SCHEMBL6315987 0.78 NPC1 (0.47) ADORA1ADORA2ATACR3SMN1; SMN2NPC1
SCHEMBL6319257 0.78 ALDH1A1 (0.39) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6321948 0.78 RAB9A (0.55) ADORA1MAPTTSHRADORA2AGAA
SCHEMBL6315246 0.76 KDM4E (0.53) ADORA1MAPTTSHRADORA2AMEN1
SCHEMBL6317601 0.75 NPC1 (0.42) MAPTTSHRMEN1KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ADORA1 1592/4885MAPT 281/4885TSHR 3971/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.